(2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl) 3-(3,5-dinitrophenyl)carbonylsulfanyl-2-methyl-propanoate

Systemtic Name: (2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl) 3-(3,5-dinitrophenyl)carbonylsulfanyl-2-methyl-propanoate Openeye Name: (2,2-dimethyl-6-nitro-chroman-4-yl) 3-(3,5-dinitrobenzoyl)sulfanyl-2-methyl-propanoate CAS Name: 3-[[(3,5-dinitrophenyl)-oxomethyl]thio]-2-methylpropanoic acid (2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl) ester IUPAC Name: (2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl) 3-(3,5-dinitrobenzoyl)sulfanyl-2-methylpropanoate Traditional Name: 3-[(3,5-dinitrobenzoyl)thio]-2-methyl-propionic acid (2,2-dimethyl-6-nitro-chroman-4-yl) ester Formula: C22H21N3O10S MolecularWeight: 519.48124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC2CC(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C

Isomeric SMILES

CC(CSC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC2CC(OC3=C2C=C(C=C3)[N+](=O)[O-])(C)C

InChI

InChI=1S/C22H21N3O10S/c1-12(11-36-21(27)13-6-15(24(30)31)8-16(7-13)25(32)33)20(26)34-19-10-22(2,3)35-18-5-4-14(23(28)29)9-17(18)19/h4-9,12,19H,10-11H2,1-3H3